CID 68572493

1206594-12-8

Structural Information

Molecular Formula
C18H28BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C)N3CCOCC3
InChI
InChI=1S/C18H28BNO3/c1-14(20-10-12-21-13-11-20)15-6-8-16(9-7-15)19-22-17(2,3)18(4,5)23-19/h6-9,14H,10-13H2,1-5H3
InChIKey
RIQMSWOLENZXFK-UHFFFAOYSA-N
Compound name
4-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

317.21622 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.223496 174.6
[M+Na]+ 340.205438 180.1
[M-H]- 316.208944 184.3
[M+NH4]+ 335.250043 189.2
[M+K]+ 356.179378 181.2
[M+H-H2O]+ 300.213480 167.6
[M+HCOO]- 362.214421 187.9
[M+CH3COO]- 376.230071 206.8
[M+Na-2H]- 338.190886 176.2
[M]+ 317.21567142 174.4
[M]- 317.21676858 174.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe